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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005201

(1S,4aS,5S,7aS)-5-hydroxy-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C26H30O13  |  Mol. Weight: 550.50 g/mol

IUPAC: (1S,4aS,5S,7aS)-5-hydroxy-7-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C26H30O13
Molecular Weight 550.50 g/mol
Canonical SMILES COC1=CC=C(C=C1)C=CC(=O)OCC2=CC(C3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy